4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine

C10H15ClN2OS — CID 3802992

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2cnc(Cl)s2)CC(C)O1
InChIInChI=1S/C10H15ClN2OS/c1-7-4-13(5-8(2)14-7)6-9-3-12-10(11)15-9/h3,7-8H,4-6H2,1-2H3
InChIKeyZDJTWVZXRZKZTD-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.41
Rot. Bonds2

About 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine

4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine (PubChem CID 3802992) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine
PubChem CID3802992
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2cnc(Cl)s2)CC(C)O1
InChIInChI=1S/C10H15ClN2OS/c1-7-4-13(5-8(2)14-7)6-9-3-12-10(11)15-9/h3,7-8H,4-6H2,1-2H3
InChIKeyZDJTWVZXRZKZTD-UHFFFAOYSA-N
XLogP2.41
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine (CID 3802992) is 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine is CC1CN(Cc2cnc(Cl)s2)CC(C)O1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine?
The InChIKey is ZDJTWVZXRZKZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-7-4-13(5-8(2)14-7)6-9-3-12-10(11)15-9/h3,7-8H,4-6H2,1-2H3.
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine?
4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine has a molecular weight of 246.76 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 3802992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).